SCHEMBL5952927

SCHEMBL5952927

O=C1c2cccc(Cl)c2CC1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.37
ACHE P22303 2/20 0.37
MAPK14 Q16539 2/20 0.36
AADAT Q8N5Z0 1/20 0.36
NOTUM Q6P988 1/20 0.35
MAPT P10636 1/20 0.33
S100A4 P26447 1/20 0.33
P2RY6 Q15077 1/20 0.32
NSD2 O96028 2/20 0.32
PDK2 Q15119 2/20 0.32
BCHE P06276 1/20 0.32
DAO P14920 1/20 0.32
CES1 P23141 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD3 P35462 1/20 0.31
KCNH2 Q12809 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5952358 0.83 ACHE (0.40) METAP1ACHEMAPK14AADATNOTUM
SCHEMBL5952887 0.80 PIM1 (0.41) METAP1ACHEPDK2
SCHEMBL5952360 0.79 PARP10 (0.41) METAP1ACHE
SCHEMBL20539615 0.77 ACHE (0.40) METAP1ACHEMAPK14AADATNOTUM
SCHEMBL5952539 0.75 HTR7 (0.40) METAP1ACHEMAPT
SCHEMBL5952144 0.75 ACHE (0.40) METAP1ACHEMAPT
SCHEMBL5952069 0.74 HTR1A (0.48) METAP1ACHE
SCHEMBL8558933 0.74 ACHE (0.40) ACHEMAPK14AADATNOTUMMAPT
SCHEMBL1453411 0.74 ACHE (0.66) ACHEMAPK14AADATNOTUMMAPT
SCHEMBL30666419 0.74 ACHE (0.40) ACHEMAPK14AADATNOTUMMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A METAP1 4201/4885ACHE 839/4885MAPK14 1409/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 METAP1 4035/4885ACHE 820/4885MAPK14 1542/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.